1-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-(4-fluoro-2-methylphenyl)urea

C17H17F3N2O2 — CID 111335598

IUPAC1-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-(4-fluoro-2-methylphenyl)urea
SMILESCc1cc(F)ccc1NC(=O)NCC(C)(O)c1ccc(F)cc1F
InChIInChI=1S/C17H17F3N2O2/c1-10-7-11(18)4-6-15(10)22-16(23)21-9-17(2,24)13-5-3-12(19)8-14(13)20/h3-8,24H,9H2,1-2H3,(H2,21,22,23)
InChIKeyKTGZNKQBTFWSHU-UHFFFAOYSA-N
MW338.33 g/mol
LogP3.44
Rot. Bonds4

About 1-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-(4-fluoro-2-methylphenyl)urea

1-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-(4-fluoro-2-methylphenyl)urea (PubChem CID 111335598) has the molecular formula C17H17F3N2O2 and a molecular weight of 338.33 g/mol. Its IUPAC name is 1-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-(4-fluoro-2-methylphenyl)urea.

Molecular Properties

Compound Name1-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-(4-fluoro-2-methylphenyl)urea
PubChem CID111335598
Molecular FormulaC17H17F3N2O2
Molecular Weight338.33 g/mol
Exact Mass338.12
IUPAC Name1-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-(4-fluoro-2-methylphenyl)urea
SMILESCc1cc(F)ccc1NC(=O)NCC(C)(O)c1ccc(F)cc1F
InChIInChI=1S/C17H17F3N2O2/c1-10-7-11(18)4-6-15(10)22-16(23)21-9-17(2,24)13-5-3-12(19)8-14(13)20/h3-8,24H,9H2,1-2H3,(H2,21,22,23)
InChIKeyKTGZNKQBTFWSHU-UHFFFAOYSA-N
XLogP3.44
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-(4-fluoro-2-methylphenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-methylpropanamide
CID 111335414
1-(2,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)urea
CID 17263659
1-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-(3-ethyl-5-methyl-1,2-oxazol-4-yl)urea
CID 109397194
1-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-[(5-methylthiophen-2-yl)methyl]urea
CID 111334569
1-(2,4-difluorophenyl)-3-(2,3-dihydroxy-2-methylpropyl)urea
CID 66168207
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-hydroxy-4-methylbenzamide
CID 110014829
(2S)-N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-methyl-3-methylsulfanylpropanamide
CID 96549103
4-acetamido-N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]benzamide
CID 96549083
2-(4-chlorophenyl)-N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]acetamide
CID 111335471
1-(2,4-difluorophenyl)-3-(2-hydroxy-2,4-dimethylpentyl)urea
CID 66179176
1-(1-cyclobutylethyl)-3-[2-(2,4-difluorophenyl)-2-hydroxypropyl]urea
CID 109491044
N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-6-methylpyridine-2-carboxamide
CID 95627816

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-(4-fluoro-2-methylphenyl)urea?
The IUPAC name of 1-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-(4-fluoro-2-methylphenyl)urea (CID 111335598) is 1-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-(4-fluoro-2-methylphenyl)urea.
What is the SMILES notation for 1-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-(4-fluoro-2-methylphenyl)urea?
The canonical SMILES for 1-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-(4-fluoro-2-methylphenyl)urea is Cc1cc(F)ccc1NC(=O)NCC(C)(O)c1ccc(F)cc1F.
What is the InChIKey of 1-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-(4-fluoro-2-methylphenyl)urea?
The InChIKey is KTGZNKQBTFWSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O2/c1-10-7-11(18)4-6-15(10)22-16(23)21-9-17(2,24)13-5-3-12(19)8-14(13)20/h3-8,24H,9H2,1-2H3,(H2,21,22,23).
What are the key properties of 1-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-(4-fluoro-2-methylphenyl)urea?
1-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-(4-fluoro-2-methylphenyl)urea has a molecular weight of 338.33 g/mol, XLogP of 3.44, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-(4-fluoro-2-methylphenyl)urea is sourced from PubChem (CID 111335598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).